tert-butyl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-propan-2-yloxy-phosphoryl]oxyethanoate

Systemtic Name: tert-butyl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-propan-2-yloxy-phosphoryl]oxyethanoate Openeye Name: tert-butyl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-isopropoxy-phosphoryl]oxyacetate CAS Name: 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-propan-2-yloxyphosphoryl]oxyacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-propan-2-yloxyphosphoryl]oxyacetate Traditional Name: 2-[2-adenin-9-yloxyethoxymethyl(isopropoxy)phosphoryl]oxyacetic acid tert-butyl ester Formula: C17H28N5O7P MolecularWeight: 445.407281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(COCCON1C=NC2=C1N=CN=C2N)OCC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)OP(=O)(COCCON1C=NC2=C1N=CN=C2N)OCC(=O)OC(C)(C)C

InChI

InChI=1S/C17H28N5O7P/c1-12(2)29-30(24,27-8-13(23)28-17(3,4)5)11-25-6-7-26-22-10-21-14-15(18)19-9-20-16(14)22/h9-10,12H,6-8,11H2,1-5H3,(H2,18,19,20)